diff --git a/src/property/aor_get_giaoints.F b/src/property/aor_get_giaoints.F index 5b846d62e2..fab98e95bf 100644 --- a/src/property/aor_get_giaoints.F +++ b/src/property/aor_get_giaoints.F @@ -270,7 +270,7 @@ subroutine aor_get_giaoints(rtdb,basis,geom, nspin, lifetime, & call errquit('aor_giaoints: rtdb_put failed',1,RTDB_ERR) endif - call new_giao_2e(geom,basis,nbf,tol2e, + call new_giao_2e(rtdb, geom,basis,nbf,tol2e, & g_dens, g_fock, xfac, npol) do ispin = 1,npol diff --git a/src/property/aoresponse_giao_rhs.F b/src/property/aoresponse_giao_rhs.F index b8669e6941..be76ca5ce0 100644 --- a/src/property/aoresponse_giao_rhs.F +++ b/src/property/aoresponse_giao_rhs.F @@ -410,7 +410,7 @@ subroutine aoresponse_giao_rhs (rtdb, basis, geom, c$$$ if (.not. rtdb_put(rtdb, 'fock_xc:calc_type', mt_int, 1, ifld)) c$$$ $ call errquit('aorgiao: rtdb_put failed',0,RTDB_ERR) c$$$ endif -c$$$ call new_giao_2e(geom, basis, nbf, tol2e, g_dens, g_fock, xfac) +c$$$ call new_giao_2e(rtdb, geom, basis, nbf, tol2e, g_dens, g_fock, xfac) c$$$ if(use_theory.eq.'dft') then c$$$ ifld = 0 c$$$ if (.not. rtdb_put(rtdb, 'fock_xc:calc_type', mt_int, 1, ifld)) @@ -437,8 +437,9 @@ subroutine aoresponse_giao_rhs (rtdb, basis, geom, if (.not. rtdb_put(rtdb, 'fock_xc:calc_type', mt_int, 1, ifld)) $ call errquit('aor_giao: rtdb_put failed',0,RTDB_ERR) endif -c call new_giao_2e(geom, basis, nbf, tol2e, g_dens, g_fock, xfac) - call new_giao_2e(geom, basis, nbf, tol2e, g_dens, g_fock, xfac, 1) ! FA restrict calc +c call new_giao_2e(rtdb, geom, basis, nbf, tol2e, g_dens, g_fock, xfac) + call new_giao_2e(rtdb, geom, basis, nbf, tol2e, + & g_dens, g_fock, xfac, 1) ! FA restrict calc if(use_theory.eq.'dft') then ifld = 0 if (.not. rtdb_put(rtdb, 'fock_xc:calc_type', mt_int, 1, ifld)) diff --git a/src/property/giao_b1_movecs_tools.F b/src/property/giao_b1_movecs_tools.F index f7d8a439df..b0f9ca6a31 100644 --- a/src/property/giao_b1_movecs_tools.F +++ b/src/property/giao_b1_movecs_tools.F @@ -62,7 +62,7 @@ subroutine update_rhs_fock2e( $ call errquit('giao_b1: rtdb_put failed',0,RTDB_ERR) endif - call new_giao_2e(geom,basis,nbf,tol2e, + call new_giao_2e(rtdb, geom,basis,nbf,tol2e, & g_dens, ! in: e-denstiy & g_fock, ! out: fock matrix & xfac, diff --git a/src/property/hnd_giaox.F b/src/property/hnd_giaox.F index 3de5114ade..3d355de446 100644 --- a/src/property/hnd_giaox.F +++ b/src/property/hnd_giaox.F @@ -440,7 +440,8 @@ subroutine hnd_giaox(rtdb,basis,geom) & write(*,*) '---- g_rhs-BEF-new_giao_2e -------- END' endif - call new_giao_2e(geom,basis,nbf,tol2e,g_dens,g_fock,xfac,npol) + call new_giao_2e(rtdb, geom,basis,nbf,tol2e, + & g_dens,g_fock,xfac,npol) c if(use_theory.eq.'dft') then ifld = 0 diff --git a/src/property/hnd_giaox_zora.F b/src/property/hnd_giaox_zora.F index fdf8f6de97..cdc7f8bfba 100644 --- a/src/property/hnd_giaox_zora.F +++ b/src/property/hnd_giaox_zora.F @@ -528,7 +528,7 @@ subroutine hnd_giaox_zora(rtdb,basis,geom) & npol) c +++++ Test: getting Coulomb and Exchange contrib separate --- END else ! default - call new_giao_2e(geom,basis,nbf,tol2e, + call new_giao_2e(rtdb, geom,basis,nbf,tol2e, & g_dens, ! in: e-denstiy & g_fock, ! out: fock matrix & xfac, diff --git a/src/property/hnd_gshift_zora.F b/src/property/hnd_gshift_zora.F index 0f4600dfd8..6b015fc2db 100644 --- a/src/property/hnd_gshift_zora.F +++ b/src/property/hnd_gshift_zora.F @@ -531,7 +531,7 @@ subroutine hnd_gshift_zora(rtdb,basis,geom) & npol) c +++++ Test: getting Coulomb and Exchange contrib separate --- END else - call new_giao_2e(geom,basis,nbf,tol2e, + call new_giao_2e(rtdb, geom,basis,nbf,tol2e, & g_dens, ! in: e-denstiy & g_fock, ! out: fock matrix & xfac,